UCSF

ZINC37827482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.72 -0.66 -43.14 3 5 1 60 270.275 6
Hi High (pH 8-9.5) -0.72 -2.02 -8.12 2 5 0 56 269.267 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )